#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n PHE 2 N 0.00 0.00 -1.65 2.03 7.35 -1.26 -4.63 117.46 119.30 3kno n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3kno n PHE 2 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3kno n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kno n ALA 3 N -1.44 -1.30 -3.76 3.13 0.00 -1.23 -3.98 120.51 111.93 3kno n ALA 3 Ca 0.00 0.15 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 3kno n ALA 3 Cb 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 3kno n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kno s ILE 4 N -0.98 3.54 0.73 0.00 1.01 0.34 -2.36 121.20 123.48 3kno s ILE 4 Ca 0.00 -3.11 -0.13 0.00 0.00 0.00 0.00 60.65 57.41 3kno s ILE 4 Cb 0.00 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 39.19 3kno s ILE 4 CO 0.00 -0.88 1.12 0.54 0.00 0.00 0.00 174.94 175.72 3kno s VAL 5 N -0.22 3.04 0.00 2.92 0.11 -0.99 -2.87 120.40 122.39 3kno s VAL 5 Ca 0.18 0.42 0.06 0.00 -2.93 0.00 0.00 61.98 59.71 3kno s VAL 5 Cb -0.20 -2.89 -0.02 0.00 -1.53 0.00 0.00 36.38 31.74 3kno s VAL 5 CO -0.03 -0.36 -0.18 -0.75 -3.33 0.00 0.00 175.10 170.45 3kno s LYS 6 N -4.39 1.41 0.16 1.54 2.36 -1.22 -0.57 119.74 119.03 3kno s LYS 6 Ca 0.66 -0.71 -0.06 0.00 -2.55 0.00 0.00 55.97 53.31 3kno s LYS 6 Cb -0.21 -1.39 0.03 0.00 -1.05 0.00 0.00 37.83 35.21 3kno s LYS 6 CO 0.48 0.38 0.34 -2.37 1.55 0.00 0.00 175.35 175.73 3kno n THR 7 N 2.44 0.00 0.00 3.43 5.66 -1.15 -4.81 114.28 119.85 3kno n THR 7 Ca -0.15 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.44 3kno n THR 7 Cb 0.54 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.73 3kno n THR 7 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kno n GLY 8 N -0.23 0.28 0.00 1.09 0.00 -1.26 -0.84 105.19 104.23 3kno n GLY 8 Ca -0.04 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3kno n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 9 N 0.00 0.67 0.00 -0.02 0.00 -1.26 -5.09 105.19 99.49 3kno n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kno n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kno n LYS 10 N 0.00 2.27 -3.69 1.61 4.01 -0.02 -5.15 118.16 117.20 3kno n LYS 10 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 3kno n LYS 10 Cb 0.22 0.00 -0.15 0.00 -0.51 0.00 0.00 35.03 34.59 3kno n LYS 10 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3kno s GLN 11 N -0.60 0.07 -0.24 1.97 -0.21 -1.26 -2.91 119.66 116.47 3kno s GLN 11 Ca 0.00 0.54 -0.04 0.00 0.02 0.00 0.00 55.36 55.88 3kno s GLN 11 Cb 0.00 -0.21 -0.00 0.00 1.00 0.00 0.00 33.01 33.80 3kno s GLN 11 CO 0.00 -0.27 -0.01 0.71 -2.12 0.00 0.00 175.29 173.60 3kno s TYR 12 N 2.01 3.03 -0.02 0.91 4.12 0.27 -4.99 117.35 122.67 3kno s TYR 12 Ca -0.01 -1.01 -0.30 0.00 0.02 0.00 0.00 57.07 55.77 3kno s TYR 12 Cb -0.12 -2.14 -0.05 0.00 -1.52 0.00 0.00 41.96 38.13 3kno s TYR 12 CO -0.06 -0.57 1.45 0.50 0.02 0.00 0.00 175.55 176.89 3kno s ARG 13 N 1.47 4.25 0.37 -0.62 3.52 -1.26 -2.34 118.95 124.34 3kno s ARG 13 Ca 0.04 2.00 0.08 0.00 -0.13 0.00 0.00 55.73 57.73 3kno s ARG 13 Cb -0.15 -3.67 -0.07 0.00 -1.56 0.00 0.00 34.95 29.50 3kno s ARG 13 CO -0.02 -0.65 -0.02 0.14 -0.81 0.00 0.00 175.30 173.95 3kno s VAL 14 N 2.81 2.24 0.39 7.11 -7.23 -0.99 -4.96 120.40 119.77 3kno s VAL 14 Ca 0.65 -2.06 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 3kno s VAL 14 Cb -0.31 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 3kno s VAL 14 CO 0.26 -0.12 0.20 -1.61 -0.31 0.00 0.00 175.10 173.52 3kno s GLU 15 N -3.69 1.90 0.06 4.82 2.02 -1.26 -4.48 118.70 118.08 3kno s GLU 15 Ca 0.34 -2.15 -0.12 0.00 0.02 0.00 0.00 54.97 53.07 3kno s GLU 15 Cb 0.04 -0.21 -0.03 0.00 0.10 0.00 0.00 34.13 34.03 3kno s GLU 15 CO 0.18 -0.58 0.73 -2.30 0.02 0.00 0.00 175.26 173.31 3kno n PRO 16 N -0.82 -0.17 -3.42 0.39 -0.02 -1.26 -4.21 135.00 125.48 3kno n PRO 16 Ca -0.01 0.72 -0.17 0.00 -2.02 0.00 0.00 63.50 62.02 3kno n PRO 16 Cb 0.64 -1.06 -0.10 0.00 -0.02 0.00 0.00 33.50 32.96 3kno n PRO 16 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3kno s GLY 17 N -2.32 -0.13 0.00 -1.23 0.00 -1.24 -3.84 107.32 98.56 3kno s GLY 17 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.63 3kno s GLY 17 CO 0.24 2.52 0.00 1.47 0.00 0.00 0.00 173.10 177.34 3kno n LEU 18 N 5.32 0.00 -0.74 0.66 -0.00 -1.23 -4.89 117.00 116.12 3kno n LEU 18 Ca -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.99 3kno n LEU 18 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.89 3kno n LEU 18 CO 0.03 0.00 -0.24 1.17 -0.00 0.00 0.00 177.39 178.35 3kno n LYS 19 N 0.00 -1.92 0.00 1.47 3.00 -1.26 -2.17 118.16 117.28 3kno n LYS 19 Ca 0.00 1.50 0.00 0.00 -0.00 0.00 0.00 58.31 59.81 3kno n LYS 19 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 33.13 3kno n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3kno n LEU 20 N -2.14 0.00 -4.91 3.14 4.32 -1.26 -4.68 117.00 111.46 3kno n LEU 20 Ca -0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.71 3kno n LEU 20 Cb 0.24 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.05 3kno n LEU 20 CO 0.00 0.00 0.47 -0.13 -1.22 0.00 0.00 177.39 176.52 3kno s ARG 21 N 4.77 3.37 -0.43 3.23 3.00 -1.26 -1.89 118.95 129.74 3kno s ARG 21 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 55.73 55.96 3kno s ARG 21 Cb 0.00 -2.34 0.35 0.00 0.00 0.00 0.00 34.95 32.96 3kno s ARG 21 CO 0.00 -0.35 1.17 1.33 0.00 0.00 0.00 175.30 177.45 3kno n VAL 22 N -2.36 0.03 -1.74 3.52 0.24 -1.17 -4.88 118.33 111.96 3kno n VAL 22 Ca 0.02 -1.77 0.00 0.00 -2.04 0.00 0.00 64.34 60.55 3kno n VAL 22 Cb 0.56 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 3kno n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kno n GLU 23 N 0.02 -4.54 -0.77 7.34 -0.58 -1.26 -4.15 120.64 116.70 3kno n GLU 23 Ca 0.04 3.30 -0.37 0.00 -0.42 0.00 0.00 57.16 59.72 3kno n GLU 23 Cb 0.75 -3.47 -0.07 0.00 -0.57 0.00 0.00 31.44 28.08 3kno n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3kno n LYS 24 N 1.38 0.00 -3.87 3.49 0.00 -1.18 -4.57 118.16 113.41 3kno n LYS 24 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.96 3kno n LYS 24 Cb 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 35.03 34.02 3kno n LYS 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3kno s LEU 25 N 3.69 3.97 -0.88 3.14 1.43 -1.26 -5.02 118.68 123.74 3kno s LEU 25 Ca 0.74 0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.71 3kno s LEU 25 Cb -0.92 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 43.31 3kno s LEU 25 CO 0.40 0.16 1.44 -0.62 0.23 0.00 0.00 176.35 177.96 3kno s ASP 26 N 0.47 6.22 -0.17 2.29 2.15 -1.26 -4.89 116.67 121.47 3kno s ASP 26 Ca 0.05 -0.93 -0.13 0.00 0.43 0.00 0.00 52.55 51.98 3kno s ASP 26 Cb -0.12 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 39.99 3kno s ASP 26 CO -0.00 -1.76 0.44 0.00 -0.17 0.00 0.00 175.17 173.68 3kno s ALA 27 N 5.81 -1.12 1.03 3.66 0.00 -1.26 -5.16 121.76 124.73 3kno s ALA 27 Ca 0.44 1.44 -0.22 0.00 0.00 0.00 0.00 51.96 53.63 3kno s ALA 27 Cb -0.04 -0.86 -0.09 0.00 0.00 0.00 0.00 23.12 22.14 3kno s ALA 27 CO 0.02 -0.24 -0.81 0.39 0.00 0.00 0.00 175.76 175.12 3kno n GLU 28 N 3.56 -0.45 0.00 0.00 1.02 -1.26 -4.89 120.64 118.63 3kno n GLU 28 Ca -0.18 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.84 3kno n GLU 28 Cb 0.56 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 3kno n GLU 28 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3kno n PRO 29 N 0.88 0.00 -0.68 3.49 -0.02 -1.26 -3.56 135.00 133.85 3kno n PRO 29 Ca -0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 3kno n PRO 29 Cb 0.66 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.28 3kno n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kno n GLY 30 N 0.00 3.21 0.00 -1.23 0.00 -1.23 -4.30 105.19 101.64 3kno n GLY 30 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3kno n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno n ALA 31 N -0.27 0.00 -3.61 4.61 0.00 -1.23 -4.22 120.51 115.79 3kno n ALA 31 Ca 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.60 3kno n ALA 31 Cb 1.11 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.49 3kno n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kno s THR 32 N 0.00 0.00 0.03 0.00 2.01 -1.26 -3.48 115.64 112.95 3kno s THR 32 Ca 0.00 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 3kno s THR 32 Cb 0.00 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 3kno s THR 32 CO 0.00 -0.00 -0.11 0.68 -0.69 0.00 0.00 174.62 174.50 3kno s VAL 33 N 0.18 0.81 -0.20 3.82 -7.23 -0.96 -4.98 120.40 111.84 3kno s VAL 33 Ca -0.01 -0.91 -0.06 0.00 -1.81 0.00 0.00 61.98 59.19 3kno s VAL 33 Cb -0.04 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 3kno s VAL 33 CO 0.02 -0.11 0.02 -0.70 -0.31 0.00 0.00 175.10 174.03 3kno s GLU 34 N -1.13 3.71 -1.08 4.82 2.12 -1.26 -1.63 118.70 124.25 3kno s GLU 34 Ca -0.02 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 54.79 3kno s GLU 34 Cb -0.08 -3.14 0.31 0.00 0.26 0.00 0.00 34.13 31.49 3kno s GLU 34 CO 0.01 0.06 1.47 1.28 -0.54 0.00 0.00 175.26 177.54 3kno n LEU 35 N 4.13 6.39 -0.33 2.70 7.99 -0.02 -4.85 117.00 133.01 3kno n LEU 35 Ca -0.17 -5.20 0.15 0.00 -0.01 0.00 0.00 56.01 50.78 3kno n LEU 35 Cb 0.52 -1.29 0.37 0.00 -0.11 0.00 0.00 43.42 42.91 3kno n LEU 35 CO 0.32 1.67 1.20 1.55 -1.51 0.00 0.00 177.39 180.63 3kno h PRO 36 N 5.51 0.65 -6.18 3.23 0.13 -1.83 -3.22 132.00 130.28 3kno h PRO 36 Ca 0.20 -0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 64.62 3kno h PRO 36 Cb 0.63 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 31.62 3kno h PRO 36 CO 1.32 0.43 1.08 1.33 -0.23 0.00 0.00 178.00 181.93 3kno n VAL 37 N -4.72 0.42 -3.63 1.56 0.24 -1.26 -4.28 118.33 106.65 3kno n VAL 37 Ca 0.23 -0.11 -0.03 0.00 -2.04 0.00 0.00 64.34 62.39 3kno n VAL 37 Cb 0.63 -1.60 -0.03 0.00 -1.47 0.00 0.00 33.84 31.37 3kno n VAL 37 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3kno s LEU 38 N 4.41 -0.07 0.05 1.34 0.20 -1.26 -3.44 118.68 119.91 3kno s LEU 38 Ca 0.98 0.05 -0.03 0.00 0.69 0.00 0.00 54.13 55.82 3kno s LEU 38 Cb -0.86 1.18 -0.03 0.00 -0.43 0.00 0.00 46.19 46.05 3kno s LEU 38 CO 0.57 -0.09 0.03 -0.76 -0.29 0.00 0.00 176.35 175.81 3kno s LEU 39 N -1.43 2.18 0.37 -0.68 2.01 -1.14 -3.70 118.68 116.28 3kno s LEU 39 Ca 0.09 -0.82 0.00 0.00 0.01 0.00 0.00 54.13 53.40 3kno s LEU 39 Cb -0.01 0.39 0.00 0.00 0.01 0.00 0.00 46.19 46.59 3kno s LEU 39 CO -0.05 -0.58 0.00 0.18 1.01 0.00 0.00 176.35 176.91 3kno n LEU 40 N 0.32 -0.65 -3.44 1.79 7.99 -1.26 0.13 117.00 121.87 3kno n LEU 40 Ca -0.16 1.50 -0.13 0.00 -0.01 0.00 0.00 56.01 57.22 3kno n LEU 40 Cb 0.60 -3.14 -0.03 0.00 -0.11 0.00 0.00 43.42 40.74 3kno n LEU 40 CO 0.26 -2.05 0.43 -0.83 -1.51 0.00 0.00 177.39 173.69 3kno s GLY 41 N -6.56 -0.60 0.41 -0.72 0.00 -1.26 -3.50 107.32 95.09 3kno s GLY 41 Ca 0.00 0.69 0.20 0.00 0.00 0.00 0.00 44.72 45.61 3kno s GLY 41 CO 0.00 0.32 1.56 -1.33 0.00 0.00 0.00 173.10 173.64 3kno h GLY 42 N 2.17 0.00 -3.15 0.20 0.00 -1.87 -1.83 103.07 98.59 3kno h GLY 42 Ca -0.32 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.58 3kno h GLY 42 CO 0.38 0.00 -0.33 1.18 0.00 0.00 0.00 176.54 177.77 3kno n GLU 43 N -2.31 2.86 -2.92 4.80 -0.58 -1.26 -4.79 120.64 116.43 3kno n GLU 43 Ca -0.01 -3.72 -0.11 0.00 -0.42 0.00 0.00 57.16 52.90 3kno n GLU 43 Cb 0.25 -2.11 0.01 0.00 -0.57 0.00 0.00 31.44 29.02 3kno n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kno n LYS 44 N -0.88 -2.33 -0.07 3.49 5.02 -0.69 -5.00 118.16 117.70 3kno n LYS 44 Ca 0.43 2.05 -0.21 0.00 -2.02 0.00 0.00 58.31 58.56 3kno n LYS 44 Cb 0.91 -5.34 -0.12 0.00 -0.02 0.00 0.00 35.03 30.45 3kno n LYS 44 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3kno n THR 45 N -0.31 1.62 -0.59 -0.18 -1.04 -1.25 -4.88 114.28 107.64 3kno n THR 45 Ca 0.10 -0.52 0.08 0.00 -2.04 0.00 0.00 64.05 61.67 3kno n THR 45 Cb 0.48 -1.68 -0.02 0.00 -1.82 0.00 0.00 70.33 67.29 3kno n THR 45 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3kno n VAL 46 N -3.61 0.00 -3.31 12.58 3.14 -1.26 -4.81 118.33 121.06 3kno n VAL 46 Ca -0.40 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 60.75 3kno n VAL 46 Cb 0.96 -0.19 -0.08 0.00 -1.06 0.00 0.00 33.84 33.47 3kno n VAL 46 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3kno s VAL 47 N -1.46 0.04 0.03 1.55 -7.23 -1.26 -4.13 120.40 107.94 3kno s VAL 47 Ca 0.00 -2.10 -0.02 0.00 -1.81 0.00 0.00 61.98 58.05 3kno s VAL 47 Cb 0.00 -0.99 0.03 0.00 0.56 0.00 0.00 36.38 35.99 3kno s VAL 47 CO 0.00 -0.95 0.19 0.61 -0.31 0.00 0.00 175.10 174.64 3kno n GLY 48 N 3.18 -0.25 3.69 2.32 0.00 -1.26 -4.08 105.19 108.79 3kno n GLY 48 Ca 0.24 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 3kno n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kno s THR 49 N -5.12 2.30 0.00 2.61 -4.23 -1.26 -5.04 115.64 104.90 3kno s THR 49 Ca -0.02 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3kno s THR 49 Cb 0.03 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.91 3kno s THR 49 CO 0.09 -0.04 0.00 -2.65 -0.54 0.00 0.00 174.62 171.48 3kno n PRO 50 N -1.11 0.00 -0.46 3.99 -0.02 -1.26 -4.57 135.00 131.57 3kno n PRO 50 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3kno n PRO 50 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.13 3kno n PRO 50 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kno n VAL 51 N -2.43 0.00 0.00 -1.45 0.31 -1.26 -4.85 118.33 108.65 3kno n VAL 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kno n VAL 51 Cb 0.00 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3kno n VAL 51 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3kno n VAL 52 N -0.98 0.00 0.00 2.52 3.14 -1.24 -4.47 118.33 117.29 3kno n VAL 52 Ca 0.00 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 3kno n VAL 52 Cb 0.00 0.84 0.00 0.00 -1.06 0.00 0.00 33.84 33.62 3kno n VAL 52 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3kno n GLU 53 N -0.90 0.00 0.08 1.45 1.02 -1.26 -4.43 120.64 116.60 3kno n GLU 53 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 3kno n GLU 53 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3kno n GLU 53 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kno h GLY 54 N 0.00 0.00 -1.11 0.62 0.00 -1.95 -3.48 103.07 97.15 3kno h GLY 54 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.92 3kno h GLY 54 CO 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.33 3kno n ALA 55 N -2.30 -3.70 0.00 3.60 0.00 -1.26 -4.73 120.51 112.11 3kno n ALA 55 Ca -0.04 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 51.96 3kno n ALA 55 Cb 0.76 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3kno n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kno n SER 56 N -4.67 0.00 -4.28 0.00 3.41 -1.18 -4.66 113.62 102.23 3kno n SER 56 Ca 0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.33 3kno n SER 56 Cb 0.56 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.36 3kno n SER 56 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kno s VAL 57 N 0.00 2.71 0.48 -3.33 0.11 -1.22 -3.13 120.40 116.02 3kno s VAL 57 Ca 0.00 -0.76 -0.19 0.00 -2.93 0.00 0.00 61.98 58.10 3kno s VAL 57 Cb 0.00 -2.14 -0.09 0.00 -1.53 0.00 0.00 36.38 32.62 3kno s VAL 57 CO 0.00 0.52 0.98 -0.69 -3.33 0.00 0.00 175.10 172.58 3kno s VAL 58 N 0.69 4.33 -0.30 2.04 1.01 -0.43 -0.84 120.40 126.90 3kno s VAL 58 Ca -0.07 1.30 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 3kno s VAL 58 Cb -0.16 -3.61 0.18 0.00 0.00 0.00 0.00 36.38 32.79 3kno s VAL 58 CO 0.02 -0.46 0.65 0.00 0.00 0.00 0.00 175.10 175.31 3kno s ALA 59 N -2.34 -2.31 0.10 5.51 0.00 -0.64 -0.16 121.76 121.91 3kno s ALA 59 Ca 0.62 1.94 -0.30 0.00 0.00 0.00 0.00 51.96 54.21 3kno s ALA 59 Cb -0.11 -2.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.84 3kno s ALA 59 CO 0.22 -1.24 1.20 -2.00 0.00 0.00 0.00 175.76 173.95 3kno s GLU 60 N 2.86 4.45 -0.70 0.00 2.12 -0.12 -2.26 118.70 125.05 3kno s GLU 60 Ca 0.13 1.81 -0.21 0.00 0.36 0.00 0.00 54.97 57.06 3kno s GLU 60 Cb -0.14 -3.31 0.09 0.00 0.26 0.00 0.00 34.13 31.03 3kno s GLU 60 CO -0.20 -0.20 0.95 0.54 -0.54 0.00 0.00 175.26 175.81 3kno s VAL 61 N 0.70 4.48 0.56 3.70 0.11 -1.23 -0.25 120.40 128.47 3kno s VAL 61 Ca 0.57 -0.69 0.33 0.00 -2.93 0.00 0.00 61.98 59.27 3kno s VAL 61 Cb -0.31 -4.67 0.49 0.00 -1.53 0.00 0.00 36.38 30.36 3kno s VAL 61 CO 0.31 -1.41 1.77 -0.07 -3.33 0.00 0.00 175.10 172.38 3kno h LEU 62 N 10.95 0.00 0.00 2.54 -0.00 -0.25 -3.26 115.31 125.29 3kno h LEU 62 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 3kno h LEU 62 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 3kno h LEU 62 CO 1.16 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 180.21 3kno n GLY 63 N -1.69 0.65 3.55 0.83 0.00 -1.11 -4.56 105.19 102.86 3kno n GLY 63 Ca 0.20 -1.66 -0.07 0.00 0.00 0.00 0.00 46.02 44.49 3kno n GLY 63 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3kno s HIS 64 N -3.25 -0.25 0.00 1.61 -3.43 -1.26 0.60 115.29 109.31 3kno s HIS 64 Ca 0.00 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.43 3kno s HIS 64 Cb 0.00 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.68 3kno s HIS 64 CO 0.00 -0.39 0.00 0.41 -2.00 0.00 0.00 174.74 172.76 3kno n GLY 65 N -0.14 1.45 3.48 -1.38 0.00 -1.26 -4.97 105.19 102.37 3kno n GLY 65 Ca -0.05 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3kno n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kno s ARG 66 N 4.36 1.73 0.13 1.61 0.52 -1.26 -0.78 118.95 125.27 3kno s ARG 66 Ca 0.00 -1.45 0.09 0.00 -0.52 0.00 0.00 55.73 53.85 3kno s ARG 66 Cb 0.00 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 3kno s ARG 66 CO 0.00 0.41 -0.16 0.20 0.02 0.00 0.00 175.30 175.77 3kno s GLY 67 N -2.80 1.71 -0.04 -3.53 0.00 -0.99 -4.96 107.32 96.71 3kno s GLY 67 Ca 0.23 -1.37 -0.04 0.00 0.00 0.00 0.00 44.72 43.54 3kno s GLY 67 CO 0.12 -1.36 0.14 1.17 0.00 0.00 0.00 173.10 173.17 3kno n LYS 68 N 0.64 0.00 -1.76 2.90 3.00 -1.26 -4.14 118.16 117.54 3kno n LYS 68 Ca -0.14 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.74 3kno n LYS 68 Cb 0.53 -0.14 -0.03 0.00 0.00 0.00 0.00 35.03 35.39 3kno n LYS 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3kno s LYS 69 N 0.22 3.81 0.09 1.64 2.20 -1.26 -4.76 119.74 121.68 3kno s LYS 69 Ca 0.09 2.26 -0.22 0.00 -0.36 0.00 0.00 55.97 57.74 3kno s LYS 69 Cb -0.13 -4.18 -0.07 0.00 -1.51 0.00 0.00 37.83 31.93 3kno s LYS 69 CO 0.07 -1.31 0.67 -1.50 -0.36 0.00 0.00 175.35 172.92 3kno s ILE 70 N 5.59 4.63 -0.44 5.43 2.07 -0.01 -4.92 121.20 133.55 3kno s ILE 70 Ca 0.88 1.45 -0.08 0.00 -1.41 0.00 0.00 60.65 61.48 3kno s ILE 70 Cb -0.36 -4.02 0.10 0.00 0.13 0.00 0.00 42.46 38.31 3kno s ILE 70 CO 0.37 0.50 0.29 -0.76 -1.91 0.00 0.00 174.94 173.42 3kno s LEU 71 N -0.84 5.38 -0.14 8.50 1.43 -1.26 -1.58 118.68 130.17 3kno s LEU 71 Ca 0.33 -1.73 -0.21 0.00 -1.03 0.00 0.00 54.13 51.48 3kno s LEU 71 Cb -0.21 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 3kno s LEU 71 CO 0.22 -0.60 0.64 0.68 0.23 0.00 0.00 176.35 177.51 3kno s VAL 72 N 1.37 5.05 -0.07 -1.59 -7.23 -0.81 -4.96 120.40 112.16 3kno s VAL 72 Ca 0.05 1.25 -0.00 0.00 -1.81 0.00 0.00 61.98 61.47 3kno s VAL 72 Cb -0.24 -3.96 0.02 0.00 0.56 0.00 0.00 36.38 32.76 3kno s VAL 72 CO 0.00 0.20 -0.04 -0.94 -0.31 0.00 0.00 175.10 174.01 3kno s SER 73 N 0.95 1.49 0.07 4.85 1.04 -1.26 -0.41 113.70 120.43 3kno s SER 73 Ca 0.32 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.61 3kno s SER 73 Cb -0.16 -0.54 -0.04 0.00 0.10 0.00 0.00 66.02 65.37 3kno s SER 73 CO 0.13 -0.12 0.14 -0.54 0.98 0.00 0.00 173.24 173.83 3kno s LYS 74 N 1.48 3.13 -0.29 4.02 1.02 0.62 -5.00 119.74 124.72 3kno s LYS 74 Ca -0.02 -0.58 -0.06 0.00 0.02 0.00 0.00 55.97 55.34 3kno s LYS 74 Cb -0.13 -2.87 0.15 0.00 -0.52 0.00 0.00 37.83 34.47 3kno s LYS 74 CO -0.03 0.58 0.60 0.12 -0.92 0.00 0.00 175.35 175.70 3kno s PHE 75 N -1.45 -1.41 -0.20 3.18 2.19 -1.25 -1.93 117.98 117.11 3kno s PHE 75 Ca 0.32 1.97 -0.07 0.00 0.33 0.00 0.00 56.93 59.48 3kno s PHE 75 Cb -0.13 0.65 -0.04 0.00 -1.31 0.00 0.00 43.02 42.20 3kno s PHE 75 CO 0.25 -0.75 0.05 0.15 1.83 0.00 0.00 175.22 176.75 3kno s LYS 76 N 2.85 3.83 1.09 10.12 1.02 -0.89 -5.02 119.74 132.74 3kno s LYS 76 Ca 0.06 -0.41 -0.12 0.00 0.02 0.00 0.00 55.97 55.52 3kno s LYS 76 Cb -0.13 -3.22 0.23 0.00 -0.52 0.00 0.00 37.83 34.18 3kno s LYS 76 CO -0.19 0.11 0.96 0.00 -0.92 0.00 0.00 175.35 175.30 3kno n ALA 77 N 4.02 -2.40 -3.40 5.17 0.00 -1.26 -3.48 120.51 119.17 3kno n ALA 77 Ca -0.16 -0.99 -0.12 0.00 0.00 0.00 0.00 53.44 52.16 3kno n ALA 77 Cb 0.52 -2.01 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 3kno n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kno n LYS 78 N -4.43 -0.90 0.00 0.00 5.02 -1.26 -4.51 118.16 112.08 3kno n LYS 78 Ca 0.06 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3kno n LYS 78 Cb 0.54 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 3kno n LYS 78 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3kno n VAL 79 N -2.23 0.00 -3.02 -0.18 3.14 -1.25 -5.05 118.33 109.74 3kno n VAL 79 Ca -0.08 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.18 3kno n VAL 79 Cb 0.21 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.03 3kno n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kno n GLN 80 N 0.00 -3.98 -3.49 1.45 1.13 -1.25 -4.99 117.38 106.25 3kno n GLN 80 Ca 0.00 0.44 -0.42 0.00 -1.94 0.00 0.00 57.00 55.08 3kno n GLN 80 Cb 0.02 -4.30 -0.05 0.00 0.11 0.00 0.00 30.24 26.01 3kno n GLN 80 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3kno s TYR 81 N -3.13 3.64 -0.28 1.08 6.04 -1.23 -5.01 117.35 118.47 3kno s TYR 81 Ca 0.29 -2.34 -0.03 0.00 0.04 0.00 0.00 57.07 55.03 3kno s TYR 81 Cb -0.13 -3.56 0.03 0.00 -1.04 0.00 0.00 41.96 37.27 3kno s TYR 81 CO 0.36 -0.92 -0.00 1.03 -1.54 0.00 0.00 175.55 174.47 3kno s ARG 82 N -0.05 2.76 -0.12 4.97 3.00 -1.26 -2.11 118.95 126.14 3kno s ARG 82 Ca 0.18 -1.05 -0.01 0.00 0.00 0.00 0.00 55.73 54.86 3kno s ARG 82 Cb -0.14 -3.15 0.03 0.00 0.00 0.00 0.00 34.95 31.69 3kno s ARG 82 CO -0.07 -0.49 -0.03 1.03 0.00 0.00 0.00 175.30 175.74 3kno s ARG 83 N 1.35 1.08 -0.16 3.54 1.81 -0.81 -5.03 118.95 120.72 3kno s ARG 83 Ca -0.01 -0.21 -0.03 0.00 -1.72 0.00 0.00 55.73 53.76 3kno s ARG 83 Cb -0.18 -1.53 -0.02 0.00 -0.45 0.00 0.00 34.95 32.77 3kno s ARG 83 CO -0.02 -0.36 -0.06 0.21 -0.68 0.00 0.00 175.30 174.40 3kno s LYS 84 N 1.80 3.56 0.06 3.54 2.20 -1.26 -0.28 119.74 129.36 3kno s LYS 84 Ca 0.03 -0.57 0.06 0.00 -0.36 0.00 0.00 55.97 55.13 3kno s LYS 84 Cb -0.14 -2.88 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 3kno s LYS 84 CO -0.07 0.15 -0.17 0.21 -0.36 0.00 0.00 175.35 175.11 3kno s LYS 85 N 0.59 1.05 -0.30 4.03 2.47 0.45 -5.02 119.74 123.02 3kno s LYS 85 Ca -0.04 -0.93 -0.04 0.00 -1.56 0.00 0.00 55.97 53.40 3kno s LYS 85 Cb -0.15 -1.14 0.03 0.00 -1.46 0.00 0.00 37.83 35.11 3kno s LYS 85 CO 0.03 0.28 0.04 0.20 0.16 0.00 0.00 175.35 176.05 3kno s GLY 86 N -1.44 1.76 -0.19 5.54 0.00 -1.26 -1.93 107.32 109.81 3kno s GLY 86 Ca 0.03 -1.61 -0.01 0.00 0.00 0.00 0.00 44.72 43.14 3kno s GLY 86 CO 0.02 0.67 -0.14 -1.58 0.00 0.00 0.00 173.10 172.07 3kno s HIS 87 N 1.38 2.84 -0.24 1.90 2.46 -0.61 -5.00 115.29 118.01 3kno s HIS 87 Ca -0.01 -1.34 0.02 0.00 0.47 0.00 0.00 55.06 54.21 3kno s HIS 87 Cb -0.18 -1.98 0.05 0.00 -0.13 0.00 0.00 32.58 30.34 3kno s HIS 87 CO 0.00 -0.68 -0.12 1.03 -2.47 0.00 0.00 174.74 172.50 3kno s ARG 88 N 1.29 2.30 0.01 2.88 0.52 -1.26 -0.83 118.95 123.85 3kno s ARG 88 Ca 0.04 -1.19 -0.30 0.00 -0.52 0.00 0.00 55.73 53.75 3kno s ARG 88 Cb -0.14 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.51 3kno s ARG 88 CO -0.08 -0.50 1.28 -0.65 0.02 0.00 0.00 175.30 175.37 3kno s GLN 89 N 1.18 4.35 0.13 3.54 -1.52 -1.26 -4.77 119.66 121.31 3kno s GLN 89 Ca -0.06 1.82 -0.29 0.00 -1.95 0.00 0.00 55.36 54.88 3kno s GLN 89 Cb -0.18 -3.48 -0.07 0.00 -0.22 0.00 0.00 33.01 29.06 3kno s GLN 89 CO -0.07 -0.43 0.92 -2.14 -0.25 0.00 0.00 175.29 173.32 3kno s PRO 90 N 1.86 4.70 0.00 2.91 0.02 -1.26 -2.35 135.00 140.88 3kno s PRO 90 Ca 0.60 1.39 0.00 0.00 0.02 0.00 0.00 61.00 63.01 3kno s PRO 90 Cb -0.29 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 30.88 3kno s PRO 90 CO 0.26 0.30 0.00 2.48 -0.33 0.00 0.00 177.00 179.71 3kno n TYR 91 N 2.46 0.00 -3.05 6.54 0.18 0.04 -3.60 117.16 119.73 3kno n TYR 91 Ca 0.00 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.81 3kno n TYR 91 Cb 0.49 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.45 3kno n TYR 91 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 3kno s THR 92 N 2.26 -0.62 -0.57 -3.48 -4.23 -1.26 -3.10 115.64 104.63 3kno s THR 92 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.25 3kno s THR 92 Cb 0.00 -0.23 -0.09 0.00 1.34 0.00 0.00 72.50 73.52 3kno s THR 92 CO 0.00 0.00 2.41 -1.61 -0.54 0.00 0.00 174.62 174.88 3kno s GLU 93 N 2.27 1.95 0.26 3.99 2.02 0.20 -3.06 118.70 126.33 3kno s GLU 93 Ca 0.17 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.32 3kno s GLU 93 Cb -0.03 -4.64 -0.04 0.00 0.10 0.00 0.00 34.13 29.53 3kno s GLU 93 CO -0.16 -3.61 0.45 -0.51 0.02 0.00 0.00 175.26 171.45 3kno s LEU 94 N 12.95 4.16 -0.20 1.80 1.43 -0.79 0.49 118.68 138.52 3kno s LEU 94 Ca 0.96 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 3kno s LEU 94 Cb -0.16 -3.18 0.06 0.00 0.03 0.00 0.00 46.19 42.93 3kno s LEU 94 CO 0.21 -0.14 -0.01 -0.22 0.23 0.00 0.00 176.35 176.42 3kno s LEU 95 N -3.77 1.70 -0.06 1.79 0.20 0.65 -4.29 118.68 114.89 3kno s LEU 95 Ca 0.38 -0.88 -0.30 0.00 0.69 0.00 0.00 54.13 54.02 3kno s LEU 95 Cb -0.10 -0.84 -0.04 0.00 -0.43 0.00 0.00 46.19 44.78 3kno s LEU 95 CO 0.31 -0.26 1.38 -0.63 -0.29 0.00 0.00 176.35 176.87 3kno s ILE 96 N 1.67 3.92 0.00 6.68 -1.09 -0.92 -0.95 121.20 130.51 3kno s ILE 96 Ca -0.02 1.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 3kno s ILE 96 Cb -0.17 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 3kno s ILE 96 CO -0.07 -0.05 0.00 0.29 -1.23 0.00 0.00 174.94 173.88 3kno n LYS 97 N 6.03 0.00 -2.56 2.79 4.76 0.77 -3.51 118.16 126.44 3kno n LYS 97 Ca 0.14 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.27 3kno n LYS 97 Cb 0.44 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.60 3kno n LYS 97 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3kno s GLU 98 N 2.47 3.84 -0.48 1.97 -1.05 -1.26 -4.50 118.70 119.70 3kno s GLU 98 Ca 0.00 0.71 0.02 0.00 -0.15 0.00 0.00 54.97 55.56 3kno s GLU 98 Cb 0.00 -2.25 0.46 0.00 -0.44 0.00 0.00 34.13 31.90 3kno s GLU 98 CO 0.00 -0.19 1.62 -0.89 0.95 0.00 0.00 175.26 176.75 3kno n ILE 99 N -1.56 3.09 -1.54 1.83 2.08 -1.26 -1.31 119.36 120.68 3kno n ILE 99 Ca 0.05 -3.56 -0.17 0.00 0.56 0.00 0.00 62.75 59.62 3kno n ILE 99 Cb 0.54 -1.15 -0.11 0.00 -0.75 0.00 0.00 39.64 38.17 3kno n ILE 99 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 3kno n ARG 100 N -0.82 0.44 0.00 0.38 1.85 -1.18 -4.81 116.66 112.52 3kno n ARG 100 Ca 0.54 -0.57 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 3kno n ARG 100 Cb 0.81 -2.99 0.00 0.00 -1.05 0.00 0.00 32.46 29.24 3kno n ARG 100 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03